CID 1224036

307952-84-7

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC
InChI
InChI=1S/C21H24N2O5/c1-21(2,3)15-7-9-16(10-8-15)22-20(24)11-6-14-12-18(27-4)19(28-5)13-17(14)23(25)26/h6-13H,1-5H3,(H,22,24)/b11-6+
InChIKey
IFRDCDVNICRSBM-IZZDOVSWSA-N
Compound name
(E)-N-(4-tert-butylphenyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16852 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17580 192.2
[M+Na]+ 407.15774 197.1
[M-H]- 383.16124 198.9
[M+NH4]+ 402.20234 202.8
[M+K]+ 423.13168 190.0
[M+H-H2O]+ 367.16578 188.2
[M+HCOO]- 429.16672 214.4
[M+CH3COO]- 443.18237 217.3
[M+Na-2H]- 405.14319 195.9
[M]+ 384.16797 194.6
[M]- 384.16907 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.